⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12707592 | 0.80 | — | — | |
| SCHEMBL8076266 | 0.69 | — | — | |
| SCHEMBL2503601 | 0.67 | — | — | |
| SCHEMBL6121254 | 0.60 | — | — | |
| SCHEMBL13292019 | 0.60 | — | — | |
| SCHEMBL7268620 | 0.60 | — | — | |
| SCHEMBL17941528 | 0.58 | — | — | |
| SCHEMBL24027509 | 0.58 | — | — | |
| SCHEMBL9131486 | 0.58 | — | — | |
| SCHEMBL2507769 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436923-B1 | ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS | SIGNAL PHARMACEUTICALS, INC. | 2002-08-20 | — | — | US | disclosed |